2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide

C14H23N3O3S — CID 107405776

IUPAC2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-10-7-12(15)11(6-2)13(8-10)21(19,20)16-9-14(18)17(3)4/h7-8,16H,5-6,9,15H2,1-4H3
InChIKeyAQSKZPOLAVTBIR-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.76
Rot. Bonds6

About 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide

2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 107405776) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID107405776
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-10-7-12(15)11(6-2)13(8-10)21(19,20)16-9-14(18)17(3)4/h7-8,16H,5-6,9,15H2,1-4H3
InChIKeyAQSKZPOLAVTBIR-UHFFFAOYSA-N
XLogP0.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 107407018
3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
CID 107405765

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide (CID 107405776) is 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide is CCc1cc(N)c(CC)c(S(=O)(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is AQSKZPOLAVTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-10-7-12(15)11(6-2)13(8-10)21(19,20)16-9-14(18)17(3)4/h7-8,16H,5-6,9,15H2,1-4H3.
What are the key properties of 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107405776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).